(1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

C15H19N3O3 — CID 167886804

IUPAC(1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)cc1
InChIInChI=1S/C15H19N3O3/c1-16-13(19)8-21-11-4-2-10(3-5-11)18-15(20)14-12-6-9(12)7-17-14/h2-5,9,12,14,17H,6-8H2,1H3,(H,16,19)(H,18,20)/t9-,12-,14+/m0/s1
InChIKeyITZQISNNZNYDPC-DUFXMDAXSA-N
MW289.34 g/mol
LogP0.36
Rot. Bonds5

About (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

(1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (PubChem CID 167886804) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
PubChem CID167886804
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
SMILESCNC(=O)COc1ccc(NC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)cc1
InChIInChI=1S/C15H19N3O3/c1-16-13(19)8-21-11-4-2-10(3-5-11)18-15(20)14-12-6-9(12)7-17-14/h2-5,9,12,14,17H,6-8H2,1H3,(H,16,19)(H,18,20)/t9-,12-,14+/m0/s1
InChIKeyITZQISNNZNYDPC-DUFXMDAXSA-N
XLogP0.36
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide with MolForge

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Related Compounds

(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 120631270
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
4-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]pentanamide
CID 120562385
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903
N-[4-(dimethylamino)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890746
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The IUPAC name of (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide (CID 167886804) is (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide.
What is the SMILES notation for (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The canonical SMILES for (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is CNC(=O)COc1ccc(NC(=O)[C@@H]2NC[C@@H]3C[C@@H]32)cc1.
What is the InChIKey of (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
The InChIKey is ITZQISNNZNYDPC-DUFXMDAXSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-16-13(19)8-21-11-4-2-10(3-5-11)18-15(20)14-12-6-9(12)7-17-14/h2-5,9,12,14,17H,6-8H2,1H3,(H,16,19)(H,18,20)/t9-,12-,14+/m0/s1.
What are the key properties of (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide?
(1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide is sourced from PubChem (CID 167886804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).